2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H27FN4O5S — CID 71295706

About 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71295706) has the molecular formula C32H27FN4O5S and a molecular weight of 598.66 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 71295706
• Molecular Formula: C32H27FN4O5S
• Molecular Weight: 598.66 g/mol
• Exact Mass: 598.17
• IUPAC Name: 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccc(OC)cc5)c4c3)cc12
• InChI: InChI=1S/C32H27FN4O5S/c1-34-32(38)30-25-16-24(20-7-14-26-28(15-20)37(18-35-26)22-10-12-23(41-3)13-11-22)27(36(2)43(4,39)40)17-29(25)42-31(30)19-5-8-21(33)9-6-19/h5-18H,1-4H3,(H,34,38)
• InChIKey: SAEYRYHVJLLOKQ-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 106.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.66
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71295706) is 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4ncn(-c5ccc(OC)cc5)c4c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The InChIKey is SAEYRYHVJLLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O5S/c1-34-32(38)30-25-16-24(20-7-14-26-28(15-20)37(18-35-26)22-10-12-23(41-3)13-11-22)27(36(2)43(4,39)40)17-29(25)42-31(30)19-5-8-21(33)9-6-19/h5-18H,1-4H3,(H,34,38).

What are the key properties of 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 598.66 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[3-(4-methoxyphenyl)benzimidazol-5-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71295706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).